ChemSpider 2D Image | (3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate | C26H29FNO4

(3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate

  • Molecular FormulaC26H29FNO4
  • Average mass438.512 Da
  • Monoisotopic mass438.208618 Da
  • ChemSpider ID58145131

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,5R)-7-[4-(4-Fluorophenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate [ACD/IUPAC Name]
(3R,5R)-7-[4-(4-Fluorophényl)-2-isopropyl-1-phényl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate [French] [ACD/IUPAC Name]
(3R,5R)-7-[4-(4-Fluorphenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoat [German] [ACD/IUPAC Name]
1H-Pyrrole-3-heptanoic acid, 4-(4-fluorophenyl)-β,δ-dihydroxy-2-(1-methylethyl)-1-phenyl-, ion(1-), (βR,δR)- [ACD/Index Name]
(3R,5R)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoate
compound 13b [PMID: 2153213]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 661.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 40.61
ACD/KOC (pH 5.5): 208.77
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 86 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement